CID 59448091

C3H7O2P — CID 59448091

IUPAC—
SMILESC=[P+]([O-])OCC
InChIInChI=1S/C3H7O2P/c1-3-5-6(2)4/h2-3H2,1H3
InChIKeyHSMGCOLFWGHQOO-UHFFFAOYSA-N
MW106.06 g/mol
LogP0.13
Rot. Bonds2

About CID 59448091

CID 59448091 (PubChem CID 59448091) has the molecular formula C3H7O2P and a molecular weight of 106.06 g/mol.

Molecular Properties

Compound NameCID 59448091
PubChem CID59448091
Molecular FormulaC3H7O2P
Molecular Weight106.06 g/mol
Exact Mass106.02
IUPAC Name—
SMILESC=[P+]([O-])OCC
InChIInChI=1S/C3H7O2P/c1-3-5-6(2)4/h2-3H2,1H3
InChIKeyHSMGCOLFWGHQOO-UHFFFAOYSA-N
XLogP0.13
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.06
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59448091?
The IUPAC name of CID 59448091 (CID 59448091) is not available.
What is the SMILES notation for CID 59448091?
The canonical SMILES for CID 59448091 is C=[P+]([O-])OCC.
What is the InChIKey of CID 59448091?
The InChIKey is HSMGCOLFWGHQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2P/c1-3-5-6(2)4/h2-3H2,1H3.
What are the key properties of CID 59448091?
CID 59448091 has a molecular weight of 106.06 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59448091 is sourced from PubChem (CID 59448091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).